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3-(Trimethylsilyl)-2-Propyn-1-Ol
CAS: 5272-36-6 | C6H12OSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5272-36-6
Molecular Formula:
C6H12OSi
Molecular Weight:
128.24699999999999 g/mol
Names and Synonyms:
3-(Trimethylsilyl)-2-Propyn-1-Ol
2-Propyn-1-ol, 3-(trimethylsilyl)-
3-(Trimethylsilyl)-2-propyn-1-ol
(3-Hydroxy-1-propynyl)trimethylsilane
3-(Trimethylsilyl)propargyl alcohol
1-(Trimethylsilyl)-1-propyn-3-ol
Hydroxymethyl(trimethylsilyl)acetylene
NSC 617397
Trimethylsilylpropargyl alcohol
3-Trimethylsilylyprop-2-ynol
Identifiers:
SMILES:
C[Si](C)(C)C#CCO
InChI:
InChI=1S/C6H12OSi/c1-8(2,3)6-4-5-7/h7H,5H2,1-3H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 128.24699999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 128.065741534 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 20.23 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.8594999999999999 | RDKit |
| molecular_mass | 128.25 g/mol | Legacy Database |
| density | 0.88 g/cm³ | Legacy Database |
| cas-boiling-point | 170-172 °C None | Legacy Database |
| cas-canonical-smile | OCC#C[Si](C)(C)C None | Legacy Database |
| cas-density | 0.875 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C6H12OSi/c1-8(2,3)6-4-5-7/h7H,5H2,1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=ZVGCJDPEKKEYES-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 63.5-65.0 °C None | Legacy Database |
| cas-name | 3-(Trimethylsilyl)-2-propyn-1-ol None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 38.2078 | RDKit |
